Structure Database (LMSD)

Common Name
1,2,4-Nonadecanetriol
Systematic Name
nonadecane-1,2,4-triol
Synonyms
LM ID
LMFA05000577
Formula
C19H40O3
Exact Mass
Calculate m/z
316.297745
Sum Composition
FOH 19:0;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty alcohols [FA05]

String Representations

InChiKey (Click to copy)
BADVLZPPYIABDS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)16-19(22)17-20/h18-22H,2-17H2,1H3
SMILES (Click to copy)
CCCCCCCCCCCCCCCC(O)CC(O)CO

References

Other Databases

HMDB ID
HMDB0032112
CHEBI ID
169806
PubChem CID
10567452

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 363.63
Topological Polar Surface Area 60.69
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
logP 5.43
Molar Refractivity 95.54

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Created at
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Updated at
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